Information card for entry 7225770

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O=c1nc(n(c2c1cccc2)C)c1ccccc1
• Title of publication: Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides
• Authors of publication: Wu, Chun-Ku; Yang, Ding-Yah
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.1061 ± 0.0004 Å
• b: 14.8919 ± 0.0008 Å
• c: 17.2862 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2344.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No